کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10155994 1666369 2019 42 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Synthesis, structural characterization and spectroscopic studies of bis tetramethylammonium hexabromostannate [N(CH3)4]2SnBr6
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Synthesis, structural characterization and spectroscopic studies of bis tetramethylammonium hexabromostannate [N(CH3)4]2SnBr6
چکیده انگلیسی
The Raman and infrared spectra at room temperature are recorded in the wavenumber range 10-3600 cm−1 and 400-4000 cm−1, respectively. Ab-initio calculations have been performed using the Gaussian 98 program at room temperature. Hartree-Fock (HF) and B3LYP density functional theory (DFT) methods with 6-31G (d) and LanL2DZ basis sets were used to obtain equilibrium geometry and the fundamental vibrational frequencies and spectroscopic intensities of the free polyhedra [(N(CH3)4]+ and [SnBr6]2-. The overall results are consistent with the experimental ones and group theory analysis, but also clearly show extra features that suggest disorder of the methyl groups of TMA.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 772, 25 January 2019, Pages 546-556
نویسندگان
, , , , , , ,